5-bromo-N-[3-(ethylamino)propyl]thiophene-3-carboxamide

C10H15BrN2OS — CID 103805592

IUPAC5-bromo-N-[3-(ethylamino)propyl]thiophene-3-carboxamide
SMILESCCNCCCNC(=O)c1csc(Br)c1
InChIInChI=1S/C10H15BrN2OS/c1-2-12-4-3-5-13-10(14)8-6-9(11)15-7-8/h6-7,12H,2-5H2,1H3,(H,13,14)
InChIKeyOFPDSALNWCMYHV-UHFFFAOYSA-N
MW291.21 g/mol
LogP2.24
Rot. Bonds6

About 5-bromo-N-[3-(ethylamino)propyl]thiophene-3-carboxamide

5-bromo-N-[3-(ethylamino)propyl]thiophene-3-carboxamide (PubChem CID 103805592) has the molecular formula C10H15BrN2OS and a molecular weight of 291.21 g/mol. Its IUPAC name is 5-bromo-N-[3-(ethylamino)propyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(ethylamino)propyl]thiophene-3-carboxamide
PubChem CID103805592
Molecular FormulaC10H15BrN2OS
Molecular Weight291.21 g/mol
Exact Mass290.01
IUPAC Name5-bromo-N-[3-(ethylamino)propyl]thiophene-3-carboxamide
SMILESCCNCCCNC(=O)c1csc(Br)c1
InChIInChI=1S/C10H15BrN2OS/c1-2-12-4-3-5-13-10(14)8-6-9(11)15-7-8/h6-7,12H,2-5H2,1H3,(H,13,14)
InChIKeyOFPDSALNWCMYHV-UHFFFAOYSA-N
XLogP2.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-5-bromothiophene-3-carboxamide
CID 61249682
5-bromo-N-(6-chlorohexyl)thiophene-3-carboxamide
CID 107966467
methyl 6-[(5-bromothiophene-3-carbonyl)amino]hexanoate
CID 43423629
5-bromo-N-[2-(2-hydroxypropylamino)ethyl]thiophene-3-carboxamide
CID 107963728
5-bromo-N-(3-bromobutyl)thiophene-3-carboxamide
CID 107966140
5-bromo-N-[2-[(4-methylbenzoyl)amino]ethyl]thiophene-3-carboxamide
CID 60964591
5-bromo-N-(3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide
CID 60735543
4-[(5-bromothiophene-3-carbonyl)amino]-2-methylbutanoic acid
CID 80538251
5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-3-carboxamide
CID 65111095
5-bromo-N-(2-hydroxypropyl)thiophene-3-carboxamide
CID 43418201
5-bromo-N-[2-(cyclopropylamino)ethyl]thiophene-3-carboxamide
CID 103806386
5-bromo-N-[(2-ethylphenyl)methyl]thiophene-3-carboxamide
CID 64695293

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(ethylamino)propyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[3-(ethylamino)propyl]thiophene-3-carboxamide (CID 103805592) is 5-bromo-N-[3-(ethylamino)propyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(ethylamino)propyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(ethylamino)propyl]thiophene-3-carboxamide is CCNCCCNC(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-[3-(ethylamino)propyl]thiophene-3-carboxamide?
The InChIKey is OFPDSALNWCMYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2OS/c1-2-12-4-3-5-13-10(14)8-6-9(11)15-7-8/h6-7,12H,2-5H2,1H3,(H,13,14).
What are the key properties of 5-bromo-N-[3-(ethylamino)propyl]thiophene-3-carboxamide?
5-bromo-N-[3-(ethylamino)propyl]thiophene-3-carboxamide has a molecular weight of 291.21 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(ethylamino)propyl]thiophene-3-carboxamide is sourced from PubChem (CID 103805592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).